Monomers
Cyclohexyl methacrylate
Identifiers
IUPAC name
cyclohexyl 2-methylprop-2-enoate
InchI
InChI=1S/C10H16O2/c1-8(2)10(11)12-9-6-4-3-5-7-9/h9H,1,3-7H2,2H3
InchI Key
OIWOHHBRDFKZNC-UHFFFAOYSA-N
SMILES
O=C(C(=C)C)OC1CCCCC1
Canonical SMILES
CC(=C)C(=O)OC1CCCCC1
Isomeric SMILES
CC(=C)C(=O)OC1CCCCC1
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C10H16O2
Heavy Atom Count
12
Molecular Weight
168.236
Exact Molecular Weight
168.115
Valence Electrons
68
Radical Electrons
0
tPSA
26.3
MolLogP
2.4384
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
1
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
0
MOL File
RDKit 3D
28 28 0 0 0 0 0 0 0 0999 V2000
1.5446 -0.9864 -1.7140 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8603 -0.2785 -0.7396 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2136 0.1722 -0.4672 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2182 -0.1496 -1.2568 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5011 1.0198 0.7268 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8545 0.0828 0.1100 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4787 -0.2409 0.0235 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2662 1.0312 -0.1781 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7192 0.8111 -0.4041 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3473 -0.2153 0.4779 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4771 -1.3811 0.7996 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0661 -0.9715 1.1885 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9954 -0.7687 -2.1249 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2321 0.1890 -1.0511 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4232 1.6285 0.5770 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5752 0.3465 1.5984 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6829 1.7558 0.9089 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6623 -0.8805 -0.8875 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8507 1.5006 -1.1179 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0358 1.7573 0.6266 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8469 0.4846 -1.4772 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2432 1.7821 -0.2423 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7584 0.2018 1.4309 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2446 -0.6169 -0.0754 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4023 -2.0367 -0.1078 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9738 -1.9738 1.5929 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5529 -1.9326 1.4120 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1755 -0.3308 2.0942 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 3
3 5 1 0
2 6 1 0
6 7 1 0
7 8 1 0
8 9 1 0
9 10 1 0
10 11 1 0
11 12 1 0
12 7 1 0
4 13 1 0
4 14 1 0
5 15 1 0
5 16 1 0
5 17 1 0
7 18 1 0
8 19 1 0
8 20 1 0
9 21 1 0
9 22 1 0
10 23 1 0
10 24 1 0
11 25 1 0
11 26 1 0
12 27 1 0
12 28 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers